Physicochemical and Pharmacokinetic Property Prediction of Substances in Centella asiatica using pkCSM: Prospects for the Creation of Therapeutic Formulations from Plant Isolates
DOI:
https://doi.org/10.59890/ijgsr.v1i3.892Keywords:
Centella Asiatica, Physicochemistry, Pharmacokinetics, pkCSMAbstract
Indonesia is a megabiodiversity country with the second-largest abundance of biodiversity in the world. Centella asiatica (CA) is an important medicinal herb used in various countries in the world. It is known to have good pharmacological activity, but more scientific data is still needed to justify its increasing use, especially regarding its pharmacokinetics and safety. The aim of the research was to predict the physicochemical and pharmacokinetic properties of the compounds contained in CA. The compound content was obtained from journal references that collected information from Dr. Duke's Phytochemical and Ethnobotanical Database, then each compound was subjected to physicochemical and pharmacokinetic analysis using a web tool. The results show that the compounds quercetin and kaempferol are compounds that have good physicochemical and pharmacokinetic properties compared to other compounds contained in CA.
References
Aghababaei, F., & Hadidi, M. (2023). Recent advances in potential health benefits of quercetin. Pharmaceuticals, 16(7): 1020. https://doi.org/10.3390/ph16071020
Anwar, Y. A. S. (2013). Prospects of the Tanase Enzyme in Industrial Development in Indonesia. Journal of Incandescent MIPA, 8(1): 32-36.
Baghel, S. S., Shrivastava, N., Baghel, R. S., Agrawal, P., & Rajput, S. (2012). A review of quercetin: antioxidant and anticancer properties. World J Pharm Pharmaceutical Sci, 1(1): 146-160.
Bown, D. (1995). The Royal Horticultural Society encyclopedia of herbs & their uses. London: Dorling Kindersley Limited.
Chen, J., Zhong, H., Huang, Z., Chen, X., You, J., & Zou, T. (2023). A Critical Review of Kaempferol in Intestinal Health and Diseases. Antioxidants, 12(8): 1642. https://doi.org/10.3390/antiox12081642
Chevallier, A. (1996). The encyclopedia of medicinal plants. London: Dorling Kindersley Limited.
Diwan, P. C., Karwande, I., Singh, A. K. (1991). Anti-anxiety profile of manduk parni (Centella asiatica) in animals. Fitoterapia, 62, 253-257.
Gondokesumo, M. E., Muslikh, F. A., Pratama, R. R., Ma’arif, B., et al. (2024). The potential of 12 flavonoid compounds as alzheimer's inhibitors through an in silico approach. Journal of Medicinal and Pharmaceutical Chemistry Research. 6(1): 50-61. https://doi.org/10.48309/jmpcr.2024.182761
Jamil, A. S., & Saputro, P. G. (2023). Molecular Docking and ADME Studies of Centella Asiatica as Anti Hyperuricemia. Pharmacognosy Journal , 15 (2).
Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (1997). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced drug delivery reviews, 23(1-3): 3-25. https://doi.org/10.1016/s0169-409x(00)00129-0.
Ma’arif, B., Muslikh, F. A., Fihuda, D. A. P., Syarifuddin, S., & Fauziyah, B. (2021). Prediction of Compounds from 96% Ethanol Extract of Marsilea crenata Presl. Leaves in Increasing Estrogen Receptor-α Activation. In Proceedings of International Pharmacy Ulul Albab Conference and Seminar (PLANAR), 1: 67-76. https://doi.org/10.18860/planar.v1i0.1461
Ma'arif, B., Muslikh, F. A., Amalia, D., Mahardiani, A., Muchlasi, L. A., Riwanti, P., et al. (2022a). Metabolite Profiling of the Environmental-Controlled Growth of Marsilea crenata Presl. and Its In Vitro and In Silico Antineuroinflammatory Properties. Borneo Journal of Pharmacy, 5(3): 209-228. https://doi.org/10.33084/bjop.v5i3.3262
Ma’arif, B., Samudra, R. R., Muslikh, F. A., Dewi, T. J. D., & Muchlasi, L. A. (2022b). Antineuroinflammatory Properties of Compounds from Ethyl Acetate Fraction of Marsilea crenata C. Presl. Against Toll-Like Receptor 2 (3A7B) In Silico. In Proceedings of International Pharmacy Ulul Albab Conference and Seminar (PLANAR), 2: 8-20. https://doi.org/10.18860/planar.v2i0.1831
Ma'arif, B., Fihuda, D. A. P., Muslikh, F. A., Syarifuddin, S., Fauziyah, B., Sari, D. P., & Agil, M. (2022). Studi in silico penghambatan aktivasi TLR2 ekstrak etanol daun semanggi (Marsilea crenata Presl.). Jurnal Tumbuhan Obat Indonesia, 15(1): 31-40. https://doi.org/10.22435/jtoi.v15i1.5792
Muslikh, F. A., Samudra, R. R., Ma’arif, B., Ulhaq, Z. S., Hardjono, S., & Agil, M. (2022). In Silico Molecular Docking and ADMET Analysis for Drug Development of Phytoestrogens Compound with Its Evaluation of Neurodegenerative Diseases. Borneo Journal of Pharmacy, 5(4): 357-366. https://doi.org/10.33084/bjop.v5i4.3801
Muslikh, F. A., Pratama, R. R., Gondokesumo, M. E. (2023). Senyawa Fitoestrogen untuk Potensi Terapi Penyakit Neurodegeneratif terhadap Reseptor TLR2: Pendekatan In Silico. Jurnal kesehatan Islam, 12(1): 17-24. https://doi.org/10.33474/jki.v12i1.19860
Nugroho, H. Y. S. H., Nurfatriani, F., Indrajaya, Y., Yuwati, T. W., Ekawati, S., Salminah, M., et al. (2022). Mainstreaming Ecosystem Services from Indonesia's Remaining Forests. Sustainability, 14 (19): 12124. https://doi.org/10.3390/su141912124
Occhipinti-Ambrogi, A., Savini, D., (2003). Biological invasions as a component of global change in stressed marine ecosystems. Marine Pollution Bulletin, 46: 542–551. https://doi.org/10.1016/S0025-326X(02)00363-6
Pires, D. E., Blundell, T. L., & Ascher, D. B. (2015). pkCSM: predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. Journal of medicinal chemistry, 58(9): 4066-4072. https://doi.org/10.1021/acs.jmedchem.5b00104
Putra, R. A., Wiryono, and Apriyanto, E. (2012). Ethnobotanical Study of the Serawai Tribe in Sukaramai Village, Selebar District, Bengkulu City. Journal of Natural Resources and Environmental Research and Management, 1 (3): 217-224.
Rosana, D., & Sukardiyono (2019). Megabiodiversity Utilization through Integrated Learning Model of Natural Sciences with Development of Innerdependence Strategies in Indonesian Border Areas. In Journal of Physics: Conference Series, 1233(1): 012099. https://doi.org/10.1088/1742-6596/1233/1/012099
Shanthi, R. V., Jumari, and Munifatul, I. (2014). Ethnobotanical Study of Traditional Medicine for the Care of Women in the Surakarta Hadiningrat Palace Society. Biosciences: Journal of Biology & Biology Education, 6(2): 61-69. https://doi.org/10.15294/biosaintifika.v6i2.3101
Verma, K., Sahu, S., Saha, S., Bahadur, S., & Bhardwaj, S. (2018). Review on quercetin and their beneficial properties. World J. Pharm. Pharm. Sci, 7: 395-403. https://doi.org/10.20959/wjpps20188-12151
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Copyright (c) 2023 Faisal Akhmal Muslikh, Fendy Prasetya, Rosa Juwita Hesturini, Fita Sari, Anis Akhwan Dhafin, Muhammad Alviyan Shutiawan, Elsa Mahardika Putri, Okky Intan Mawarni

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